ChemSpider 2D Image | Ethyl 1-(4-{[2-(dimethylamino)-5-nitrobenzoyl]amino}phenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate | C22H20F3N5O5

Ethyl 1-(4-{[2-(dimethylamino)-5-nitrobenzoyl]amino}phenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate

  • Molecular FormulaC22H20F3N5O5
  • Average mass491.420 Da
  • Monoisotopic mass491.141663 Da
  • ChemSpider ID33701622

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1-(4-{[2-(Diméthylamino)-5-nitrobenzoyl]amino}phényl)-5-(trifluorométhyl)-1H-pyrazole-4-carboxylate d'éthyle [French] [ACD/IUPAC Name]
1H-Pyrazole-4-carboxylic acid, 1-[4-[[2-(dimethylamino)-5-nitrobenzoyl]amino]phenyl]-5-(trifluoromethyl)-, ethyl ester [ACD/Index Name]
Ethyl 1-(4-{[2-(dimethylamino)-5-nitrobenzoyl]amino}phenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate [ACD/IUPAC Name]
Ethyl-1-(4-{[2-(dimethylamino)-5-nitrobenzoyl]amino}phenyl)-5-(trifluormethyl)-1H-pyrazol-4-carboxylat [German] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 565.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.0±3.0 kJ/mol
Flash Point: 296.0±30.1 °C
Index of Refraction: 1.594
Molar Refractivity: 118.7±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 5.20
ACD/LogD (pH 5.5): 4.03
ACD/BCF (pH 5.5): 681.15
ACD/KOC (pH 5.5): 3712.24
ACD/LogD (pH 7.4): 4.03
ACD/BCF (pH 7.4): 681.11
ACD/KOC (pH 7.4): 3712.02
Polar Surface Area: 122 Å2
Polarizability: 47.0±0.5 10-24cm3
Surface Tension: 47.1±7.0 dyne/cm
Molar Volume: 349.6±7.0 cm3

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